CID 5236771

N-[1-(cyclohexylcarbamoyl)cyclohexyl]-n-(thiophen-2-ylmethyl)pyridine-2-carboxamide

Structural Information

Molecular Formula
C24H31N3O2S
SMILES
C1CCC(CC1)NC(=O)C2(CCCCC2)N(CC3=CC=CS3)C(=O)C4=CC=CC=N4
InChI
InChI=1S/C24H31N3O2S/c28-22(21-13-5-8-16-25-21)27(18-20-12-9-17-30-20)24(14-6-2-7-15-24)23(29)26-19-10-3-1-4-11-19/h5,8-9,12-13,16-17,19H,1-4,6-7,10-11,14-15,18H2,(H,26,29)
InChIKey
FIFDVZFCMSONTO-UHFFFAOYSA-N
Compound name
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3
Patents

425.21368 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.220956 201.1
[M+Na]+ 448.202898 199.4
[M-H]- 424.206404 210.6
[M+NH4]+ 443.247503 211.8
[M+K]+ 464.176838 195.7
[M+H-H2O]+ 408.210940 190.7
[M+HCOO]- 470.211881 212.2
[M+CH3COO]- 484.227531 207.0
[M+Na-2H]- 446.188346 198.3
[M]+ 425.21313142 194.1
[M]- 425.21422858 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.